4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide

C15H21N3O3 — CID 54582170

IUPAC4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide
SMILESO=C(CCCN1CCN(C(=O)c2ccccc2)CC1)NO
InChIInChI=1S/C15H21N3O3/c19-14(16-21)7-4-8-17-9-11-18(12-10-17)15(20)13-5-2-1-3-6-13/h1-3,5-6,21H,4,7-12H2,(H,16,19)
InChIKeyZIYAZWOEOVHDKW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.73
Rot. Bonds5

About 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide

4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide (PubChem CID 54582170) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide
PubChem CID54582170
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide
SMILESO=C(CCCN1CCN(C(=O)c2ccccc2)CC1)NO
InChIInChI=1S/C15H21N3O3/c19-14(16-21)7-4-8-17-9-11-18(12-10-17)15(20)13-5-2-1-3-6-13/h1-3,5-6,21H,4,7-12H2,(H,16,19)
InChIKeyZIYAZWOEOVHDKW-UHFFFAOYSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide?
The IUPAC name of 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide (CID 54582170) is 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide.
What is the SMILES notation for 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide?
The canonical SMILES for 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide is O=C(CCCN1CCN(C(=O)c2ccccc2)CC1)NO.
What is the InChIKey of 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide?
The InChIKey is ZIYAZWOEOVHDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(16-21)7-4-8-17-9-11-18(12-10-17)15(20)13-5-2-1-3-6-13/h1-3,5-6,21H,4,7-12H2,(H,16,19).
What are the key properties of 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide?
4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide has a molecular weight of 291.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazin-1-yl)-N-hydroxybutanamide is sourced from PubChem (CID 54582170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).